Task 38584371

Name HIF2A_A13_A43_r0_4-QUICO_ATM_GAFF2_LOMAP_HIF2A-0-5-RND0645_7
Workunit 31545879
Created 17 Dec 2025, 11:35:56 UTC
Sent 17 Dec 2025, 11:36:04 UTC
Report deadline 22 Dec 2025, 11:36:04 UTC
Received 17 Dec 2025, 11:44:33 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 445441
Run time 2 min 37 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 13,453.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.83 MB
Peak swap size 39.77 MB
Peak disk usage 1.43 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<message>
Operativsystemet kan ikke kj�re (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
12:42:35 (25120): wrapper (7.9.26016): starting
12:42:35 (25120): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A13_A43_0.xml
QB_A13_A43.inpcrd
QB_A13_A43_input.yaml
QB_A13_A43.prmtop
run.bat
run.sh
12:42:36 (25120): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:42:36 (25120): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\4\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\4\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\4\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\rbfe_production.py", line 29, in rbfe_production
    rx = openmm_job_RBFE(
         ^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 408, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 23, in __init__
    super().__init__(command_file, options)
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 53, in __init__
    self._checkInput()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 265, in _checkInput
    super()._checkInput()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 157, in _checkInput
    self._exit('JOB_TRANSPORT needs to be specified')
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 69, in _exit
    self.checkpointJob()
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\openmm_async_re.py", line 47, in checkpointJob
    for repl in range(self.nreplicas):
                      ^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\4\Lib\site-packages\atom_openmm\async_re.py", line 131, in __getattribute__
    return object.__getattribute__(self,name)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
AttributeError: 'openmm_job_RBFE' object has no attribute 'nreplicas'
12:42:54 (25120): C:/Windows/system32/cmd.exe exited; CPU time 1.093750
12:42:54 (25120): app exit status: 0x16
12:42:54 (25120): called boinc_finish(195)
0 bytes in 0 Free Blocks.
428 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 471132 bytes.
Dumping objects ->
{3835227} normal block at 0x0000026B75071330, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x0000026B750707D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000026B75070D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x0000026B750715D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000026B75071480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x0000026B7511C6F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835141} normal block at 0x0000026B7511CFA0, 86 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835138} normal block at 0x0000026B734B6E40, 8 bytes long.
 Data: <  Csk   > 00 00 43 73 6B 02 00 00 
{3834535} normal block at 0x0000026B7511CF00, 86 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x0000026B734B7520, 8 bytes long.
 Data: <&#224;W uk   > E0 57 20 75 6B 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000026B734BD920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026B734ABDF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000026B734C37F0, 16 bytes long.
 Data: <hFLsk           > 68 46 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026B734C3610, 16 bytes long.
 Data: <@FLsk           > 40 46 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026B734BE5F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000026B734C3B60, 16 bytes long.
 Data: < FLsk           > 18 46 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026B734C3980, 16 bytes long.
 Data: <&#240;ELsk           > F0 45 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026B734C3B10, 16 bytes long.
 Data: <&#200;ELsk           > C8 45 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026B734C35C0, 16 bytes long.
 Data: <&#160;ELsk           > A0 45 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026B734BBE70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000026B734C3E80, 16 bytes long.
 Data: < &#178;Jsk           > 88 B2 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026B734BE830, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000026B734C37A0, 16 bytes long.
 Data: <`&#178;Jsk           > 60 B2 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026B734C2FD0, 16 bytes long.
 Data: <8&#178;Jsk           > 38 B2 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026B734C3570, 16 bytes long.
 Data: < &#178;Jsk           > 10 B2 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026B734C39D0, 16 bytes long.
 Data: <&#232;&#177;Jsk           > E8 B1 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026B734C3480, 16 bytes long.
 Data: <&#192;&#177;Jsk           > C0 B1 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026B734C33E0, 16 bytes long.
 Data: < &#177;Jsk           > 98 B1 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026B734BE2F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000026B734C2F80, 16 bytes long.
 Data: <p&#177;Jsk           > 70 B1 4A 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026B734AB170, 320 bytes long.
 Data: < /Lsk   &#240;&#226;Ksk   > 80 2F 4C 73 6B 02 00 00 F0 E2 4B 73 6B 02 00 00 
{273} normal block at 0x0000026B734C38E0, 16 bytes long.
 Data: < ELsk           > 80 45 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026B734C3390, 16 bytes long.
 Data: <XELsk           > 58 45 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026B734BEBF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000026B734C3340, 16 bytes long.
 Data: <0ELsk           > 30 45 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026B734BEB90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000026B734C31B0, 16 bytes long.
 Data: <xDLsk           > 78 44 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026B734C3890, 16 bytes long.
 Data: <PDLsk           > 50 44 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026B734C3160, 16 bytes long.
 Data: <(DLsk           > 28 44 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026B734C30C0, 16 bytes long.
 Data: < DLsk           > 00 44 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026B734C32F0, 16 bytes long.
 Data: <&#216;CLsk           > D8 43 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026B734C3070, 16 bytes long.
 Data: <&#176;CLsk           > B0 43 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026B734C3DE0, 16 bytes long.
 Data: < &#193;Ksk           > 80 C1 4B 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026B734BC180, 40 bytes long.
 Data: <&#224;=Lsk   &#240;&#198; uk   > E0 3D 4C 73 6B 02 00 00 F0 C6 11 75 6B 02 00 00 
{259} normal block at 0x0000026B734C3250, 16 bytes long.
 Data: < CLsk           > 90 43 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026B734C34D0, 16 bytes long.
 Data: <hCLsk           > 68 43 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026B734BE4D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000026B734C3200, 16 bytes long.
 Data: <@CLsk           > 40 43 4C 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026B734C4340, 992 bytes long.
 Data: < 2Lsk   &#208;&#228;Ksk   > 00 32 4C 73 6B 02 00 00 D0 E4 4B 73 6B 02 00 00 
{91} normal block at 0x0000026B734BEE90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000026B734B6E90, 16 bytes long.
 Data: <`&#194;Ksk           > 60 C2 4B 73 6B 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000026B734BC260, 40 bytes long.
 Data: < nKsk    &#238;Ksk   > 90 6E 4B 73 6B 02 00 00 90 EE 4B 73 6B 02 00 00 
{68} normal block at 0x0000026B734B7A70, 16 bytes long.
 Data: < &#234;&#217;V&#247;           > 80 EA D9 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026B734B7A20, 16 bytes long.
 Data: <@&#233;&#217;V&#247;           > 40 E9 D9 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026B734B7480, 16 bytes long.
 Data: <&#248;W&#214;V&#247;           > F8 57 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026B734B7B60, 16 bytes long.
 Data: <&#216;W&#214;V&#247;           > D8 57 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026B734B79D0, 16 bytes long.
 Data: <P &#214;V&#247;           > 50 04 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026B734B7930, 16 bytes long.
 Data: <0 &#214;V&#247;           > 30 04 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026B734B7D40, 16 bytes long.
 Data: <&#224; &#214;V&#247;           > E0 02 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026B734B7890, 16 bytes long.
 Data: <  &#214;V&#247;           > 10 04 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026B734B7750, 16 bytes long.
 Data: <p &#214;V&#247;           > 70 04 D6 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026B734B78E0, 16 bytes long.
 Data: < &#192;&#212;V&#247;           > 18 C0 D4 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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